NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4626 8.3349 116.7983 57.3554 63.3377 173.1776 5 P 4.1785 0.0000 0.0000 62.1561 32.1704 176.1855 6 I 3.5854 8.8026 123.1082 64.8236 37.8660 178.1248 7 I 3.5665 7.6448 118.5735 64.1656 37.7560 177.7394 8 Q 3.9654 7.8560 118.5164 59.0727 28.4852 178.5314 9 N 4.4484 8.0638 116.9942 56.2542 38.6342 177.5189 10 V 3.5000 7.6927 119.5683 65.9230 31.5096 178.0317 11 L 4.0462 8.0713 118.7907 58.0898 41.2207 179.8073 12 S 4.2976 8.3476 115.0658 61.6419 62.8320 175.9675 13 Y 4.1097 8.5035 122.4741 60.8559 38.6369 178.1589 14 I 3.8481 8.1715 120.6438 65.0483 37.0322 178.4748 15 T 4.0814 7.2138 114.9342 66.1398 68.3196 176.1843 16 E 4.1752 7.7571 119.3299 58.4016 29.6936 177.2653 17 H 4.8082 7.8217 112.9698 54.8566 30.5841 174.9945 18 F 4.2074 8.2585 117.2774 59.7688 37.4929 176.5970 19 S 3.9958 6.8701 114.3478 58.8353 63.3974 173.6295 20 E 4.3183 7.7828 119.7758 54.2960 31.0891 176.0477 21 G 3.6143 8.2279 108.4723 45.7132 0.0000 173.3680 *23 S 4.4466 8.1752 114.9175 57.7126 65.3776 174.6442 24 L 3.4251 8.0307 120.5933 57.7859 41.1381 180.0729 25 K 3.9454 7.8418 118.0756 59.6156 32.0433 179.3993 26 T 3.9076 7.8226 110.0774 64.7198 68.6499 176.6932 27 L 3.9966 8.1972 122.2744 57.4050 41.6389 179.6258 28 G 3.6670 8.3408 106.0753 47.7271 0.0000 175.5405 29 N 4.3849 8.2292 118.8380 56.2087 38.3633 177.3330 30 D 4.2460 8.1160 119.3744 56.8666 40.9903 178.0168 31 F 4.3105 8.4371 115.7191 56.5172 40.1350 174.9124 32 H 4.1256 7.7679 116.8439 57.2751 28.4538 174.3605 33 I 4.5886 7.7631 118.1434 58.2673 41.2319 175.1164 34 N 4.3148 8.8806 121.3302 54.4064 39.7296 175.6315 35 A 3.9053 8.6284 129.4972 55.0954 18.6349 179.4784 36 V 3.5128 7.8074 116.3148 66.3456 31.6610 177.3974 37 Y 4.3337 8.6386 120.8675 60.0611 38.6032 177.6202 38 L 3.7526 8.1983 121.4861 58.1900 42.0198 179.2580 39 G 3.5662 8.0603 105.4143 47.8635 0.0000 175.7590 40 Q 3.9427 8.1178 120.5029 58.5794 28.7320 178.4859 41 L 3.7361 7.8789 121.7688 57.8423 41.7725 178.7897 42 F 3.7450 7.9790 119.6240 61.3819 39.4696 176.6864 43 Q 4.7024 8.1626 117.8670 58.2675 28.5678 178.6641 44 K 4.0839 7.9811 119.5840 59.4986 32.3367 177.9891 45 E 4.3245 7.7087 115.8857 56.6558 29.4008 177.4663 *47 G 3.9000 7.7605 106.3916 44.6846 0.0000 172.3371 48 E 4.7708 7.5569 116.3832 53.8462 32.5284 174.0948 49 H 4.5478 8.7610 116.6364 55.4434 30.5908 176.1458 50 F 2.9926 8.9691 126.7425 61.7653 38.9512 177.9564 51 T 3.6692 8.0099 108.4275 64.7860 68.5889 176.0818 52 D 4.3897 8.0952 121.3778 57.2014 40.9725 177.7915 53 Y 3.9983 8.0473 120.1209 60.6341 38.7761 177.9434 54 L 3.8771 7.9044 121.4368 58.0989 42.0683 178.6034 55 N 4.4748 8.3282 118.1058 55.8043 38.4687 177.2912 56 R 3.4493 7.6972 119.9674 59.3198 29.9205 177.8592 57 Y 3.6223 7.7113 119.1916 60.7442 38.7677 178.4023 58 R 4.1346 8.3658 119.2201 59.3547 30.1304 179.2707 59 V 3.7746 8.3352 118.5484 66.0276 31.6165 177.8188 60 N 4.1171 8.2056 116.4844 56.1619 38.2466 176.7902 61 Y 3.9288 7.6936 120.7010 60.6181 38.9779 177.7014 62 A 4.1729 8.4398 122.0541 55.2687 17.3571 179.7752 63 K 4.0979 8.4328 117.4780 59.9565 32.5448 179.0989 64 E 4.1972 7.7336 119.5022 58.9472 29.7242 178.2208 65 E 3.8148 8.0680 119.4219 59.1719 29.3985 178.8000 66 L 4.1095 8.0363 118.1917 57.0138 41.6879 178.4882 67 L 4.4515 7.1291 117.8803 56.3596 42.4238 178.3525 68 Q 4.2682 8.1574 117.0426 56.5855 29.0116 175.6438 69 T 4.7497 7.1698 107.9410 59.9362 71.8440 173.5154 70 K 4.5225 8.3576 118.9107 56.2660 32.4404 176.6984 71 D 4.5601 7.4983 119.2063 53.7529 41.4266 176.4844 72 N 4.4223 8.4848 119.1343 53.5001 40.6595 175.5387 73 L 3.9168 8.4801 128.6595 58.7613 42.3565 179.4775 74 T 3.7918 7.8471 115.1020 66.6284 68.4272 176.5628 75 I 3.7179 7.6609 121.2637 64.4336 37.2688 178.4028 76 I 3.7602 8.0705 120.7132 64.2063 36.8390 178.2521 77 A 3.4834 8.0356 122.0370 54.8359 18.0735 179.8876 78 G 3.7181 8.0155 104.1405 47.9537 0.0000 176.1100 79 K 4.1321 8.0505 119.4265 58.3432 32.1390 178.6029 80 S 4.9271 7.7516 113.1226 58.3755 63.2431 174.7256 81 G 3.9908 7.9330 110.4253 45.0637 0.0000 172.6529 82 Y 4.7894 8.4149 117.8440 56.1432 39.7880 176.5183 83 T 4.5153 8.7393 112.8741 61.4154 70.8922 173.4844 84 D 4.7455 8.0426 121.3171 52.5859 43.6935 176.2125 *86 A 4.3331 8.2868 122.8502 52.4092 20.5530 178.4869 87 Y 4.2725 8.7763 116.3188 60.8317 38.8441 177.6859 88 F 3.4003 8.6839 121.9859 61.3616 39.4731 176.2589 89 Y 3.7086 8.0991 118.3146 60.7921 38.5319 178.2893 90 R 3.8344 8.0211 118.6686 59.4630 30.2302 179.1952 91 Q 3.8088 7.9588 118.0815 58.6160 28.6188 178.5150 92 F 3.5409 7.9176 122.1565 60.8713 39.3538 177.0477 93 K 4.2696 7.4865 120.0893 58.8210 31.7232 178.5438 94 K 3.7566 7.7339 118.6690 59.5245 32.2076 177.7298 95 H 4.5111 7.7259 113.8470 56.4531 29.2354 176.3486 96 T 4.2883 7.5691 109.6790 60.5179 70.1565 175.4192 97 G 3.9530 8.3493 109.1016 45.2958 0.0000 172.9503 98 E 4.7953 7.9029 118.5874 53.5485 33.6248 175.4592 99 T 4.0023 8.1585 111.5251 60.8535 70.9277 173.6458 100 P 3.1375 0.0000 0.0000 65.7443 31.3950 178.5870 101 N 4.3916 8.0324 114.8256 56.1311 38.8361 176.8425 102 R 3.8953 7.7669 120.3891 59.3774 30.2941 177.6756 103 Y 4.0071 8.4602 119.8062 60.8339 38.8687 178.0773 104 R 3.9866 8.3126 119.5720 59.2891 29.9125 178.3970 105 K 3.9087 7.8157 118.3149 59.6854 32.3509 178.5980 106 I 3.7141 7.7525 118.9536 63.8417 37.0515 177.1845 107 H 4.7305 7.6653 113.6994 55.5321 30.1335 174.2349 108 Q 4.1507 7.9827 126.4024 56.0864 28.8944 174.9421 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 S 8.33 4.46 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.18 0.00 2.22 1.96 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 I 8.80 3.59 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.74 0.00 0.00 7 I 7.64 3.57 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.81 0.00 0.00 8 Q 7.86 3.97 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 9 N 8.06 4.45 0.00 2.78 3.06 0.00 0.00 6.74 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.69 3.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.48 0.00 0.00 11 L 8.07 4.05 0.00 1.88 1.73 0.79 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.35 4.30 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.50 4.11 0.00 3.59 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.17 3.85 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.33 0.55 0.00 0.00 15 T 7.21 4.08 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 16 E 7.76 4.18 0.00 1.42 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 17 H 7.82 4.81 0.00 3.05 3.18 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.26 4.21 0.00 3.26 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 6.87 4.00 0.00 3.79 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.78 4.32 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 21 G 8.23 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 S 8.18 4.45 0.00 4.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.03 3.43 0.00 1.55 1.56 0.85 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.84 3.95 0.00 1.77 1.82 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 26 T 7.82 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 27 L 8.20 4.00 0.00 1.65 1.63 0.54 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.34 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.23 4.38 0.00 2.88 2.86 0.00 0.00 7.04 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.12 4.25 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.44 4.31 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.77 4.13 0.00 3.22 3.35 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.76 4.59 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.09 1.05 0.00 0.00 34 N 8.88 4.31 0.00 2.73 2.77 0.00 0.00 7.06 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.63 3.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.81 3.51 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 37 Y 8.64 4.33 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.20 3.75 0.00 1.81 1.70 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.06 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.12 3.94 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 41 L 7.88 3.74 0.00 0.89 1.37 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.98 3.74 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.16 4.70 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 44 K 7.98 4.08 0.00 1.75 1.92 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.45 7.81 45 E 7.71 4.32 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 *47 G 7.76 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.56 4.77 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 49 H 8.76 4.55 0.00 3.47 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.97 2.99 0.00 2.45 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.01 3.67 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 52 D 8.10 4.39 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.05 4.00 0.00 3.50 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.90 3.88 0.00 1.12 1.40 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.33 4.47 0.00 2.88 2.93 0.00 0.00 6.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.70 3.45 0.00 1.58 1.65 0.00 3.01 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 57 Y 7.71 3.62 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.37 4.13 0.00 2.24 2.42 0.00 3.07 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 59 V 8.34 3.77 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.91 0.00 0.00 60 N 8.21 4.12 0.00 2.66 2.62 0.00 0.00 6.62 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.69 3.93 0.00 2.73 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.44 4.17 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.43 4.10 0.00 1.27 1.71 0.00 0.89 0.00 0.00 1.18 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.38 7.81 64 E 7.73 4.20 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 65 E 8.07 3.81 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 66 L 8.04 4.11 0.00 1.97 1.82 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.13 4.45 0.00 1.91 1.74 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.16 4.27 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 69 T 7.17 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 70 K 8.36 4.52 0.00 1.75 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.43 7.81 71 D 7.50 4.56 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.48 4.42 0.00 2.83 2.68 0.00 0.00 6.54 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.48 3.92 0.00 1.76 1.66 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.85 3.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 75 I 7.66 3.72 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 0.92 0.00 0.00 76 I 8.07 3.76 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.05 0.96 0.00 0.00 77 A 8.04 3.48 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.02 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.05 4.13 0.00 2.06 2.04 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.69 7.81 80 S 7.75 4.93 0.00 4.33 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.41 4.79 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.74 4.52 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 84 D 8.04 4.75 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 A 8.29 4.33 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.78 4.27 0.00 3.36 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.68 3.40 0.00 2.80 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.10 3.71 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.02 3.83 0.00 2.05 1.92 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 91 Q 7.96 3.81 0.00 1.70 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 92 F 7.92 3.54 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.49 4.27 0.00 1.60 1.73 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.23 7.81 94 K 7.73 3.76 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 1.33 7.81 95 H 7.73 4.51 0.00 3.03 3.12 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.57 4.29 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 97 G 8.35 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.90 4.80 0.00 2.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 99 T 8.16 4.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 100 P 0.00 3.14 0.00 1.95 1.39 0.00 3.24 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.98 0.00 101 N 8.03 4.39 0.00 2.86 2.83 0.00 0.00 6.77 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.77 3.90 0.00 1.98 2.11 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 103 Y 8.46 4.01 0.00 3.47 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.31 3.99 0.00 2.12 2.10 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 105 K 7.82 3.91 0.00 1.99 1.93 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 106 I 7.75 3.71 1.37 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.55 0.00 0.00 107 H 7.67 4.73 0.00 2.92 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.98 4.15 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.